CID 87623402

1044679-59-5

Structural Information

Molecular Formula
C12H27N3O2
SMILES
CC(C)(C)OC(=O)NCCNCCCN(C)C
InChI
InChI=1S/C12H27N3O2/c1-12(2,3)17-11(16)14-9-8-13-7-6-10-15(4)5/h13H,6-10H2,1-5H3,(H,14,16)
InChIKey
OFYABVOAKGPVKK-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[3-(dimethylamino)propylamino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

245.21033 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.21761 163.3
[M+Na]+ 268.19955 166.2
[M-H]- 244.20305 164.2
[M+NH4]+ 263.24415 180.7
[M+K]+ 284.17349 167.1
[M+H-H2O]+ 228.20759 156.6
[M+HCOO]- 290.20853 186.8
[M+CH3COO]- 304.22418 205.8
[M+Na-2H]- 266.18500 166.6
[M]+ 245.20978 166.4
[M]- 245.21088 166.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe